3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine

C12H23F3N2O — CID 114830309

IUPAC3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CC(F)(F)F)C1(C)C
InChIInChI=1S/C12H23F3N2O/c1-5-18-9-6-11(16,10(9,2)3)7-17(4)8-12(13,14)15/h9H,5-8,16H2,1-4H3
InChIKeyWWJKABANFIHOSC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 114830309) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
PubChem CID114830309
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)CC(F)(F)F)C1(C)C
InChIInChI=1S/C12H23F3N2O/c1-5-18-9-6-11(16,10(9,2)3)7-17(4)8-12(13,14)15/h9H,5-8,16H2,1-4H3
InChIKeyWWJKABANFIHOSC-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine (CID 114830309) is 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine is CCOC1CC(N)(CN(C)CC(F)(F)F)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is WWJKABANFIHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-5-18-9-6-11(16,10(9,2)3)7-17(4)8-12(13,14)15/h9H,5-8,16H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114830309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).